USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 622 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 SER OG : rot 180:sc= 0.00167 USER MOD Set 1.2: A 49 MET CE :methyl 161:sc= -4.72 (180deg=-5.53!) USER MOD Set 2.1: A 13 SER OG : rot 150:sc= 0 USER MOD Set 2.2: A 83 HIS : no HD1:sc= -0.0165 K(o=-0.017,f=-0.71) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 140:sc= -0.18 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 60:sc= -2.06! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.362 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 9:sc= 1.3 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.351 USER MOD Single : A 54 TYR OH : rot -8:sc= 1.03 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -148:sc= -0.0197 (180deg=-0.593) USER MOD Single : A 66 GLN : amide:sc= -0.0283 K(o=-0.028,f=-1) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= -1.06 USER MOD Single : A 80 CYS SG : rot -90:sc= -1.15 USER MOD Single : A 87 HIS : no HD1:sc= -0.554 X(o=-0.55,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.405 -9.158 9.662 1.00 0.00 N ATOM 60 CA GLY A 7 0.114 -8.040 8.781 1.00 0.00 C ATOM 61 C GLY A 7 0.569 -6.719 9.404 1.00 0.00 C ATOM 62 O GLY A 7 0.921 -6.672 10.582 1.00 0.00 O ATOM 0 HA2 GLY A 7 0.615 -8.186 7.824 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.956 -8.001 8.578 1.00 0.00 H new ATOM 66 N VAL A 8 0.547 -5.677 8.586 1.00 0.00 N ATOM 67 CA VAL A 8 0.952 -4.358 9.042 1.00 0.00 C ATOM 68 C VAL A 8 -0.076 -3.324 8.579 1.00 0.00 C ATOM 69 O VAL A 8 -0.339 -3.198 7.384 1.00 0.00 O ATOM 70 CB VAL A 8 2.371 -4.050 8.557 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.397 -4.314 9.661 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.704 -4.849 7.296 1.00 0.00 C ATOM 0 H VAL A 8 0.255 -5.719 7.610 1.00 0.00 H new ATOM 0 HA VAL A 8 0.980 -4.322 10.131 1.00 0.00 H new ATOM 0 HB VAL A 8 2.417 -2.991 8.304 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.397 -4.087 9.290 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.177 -3.682 10.521 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.349 -5.361 9.959 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.717 -4.612 6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.632 -5.915 7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.000 -4.590 6.505 1.00 0.00 H new ATOM 82 N MET A 9 -0.629 -2.611 9.549 1.00 0.00 N ATOM 83 CA MET A 9 -1.623 -1.593 9.255 1.00 0.00 C ATOM 84 C MET A 9 -0.966 -0.334 8.684 1.00 0.00 C ATOM 85 O MET A 9 -0.194 0.334 9.371 1.00 0.00 O ATOM 86 CB MET A 9 -2.383 -1.237 10.534 1.00 0.00 C ATOM 87 CG MET A 9 -3.495 -2.250 10.811 1.00 0.00 C ATOM 88 SD MET A 9 -3.869 -2.284 12.556 1.00 0.00 S ATOM 89 CE MET A 9 -5.602 -1.859 12.511 1.00 0.00 C ATOM 0 H MET A 9 -0.408 -2.718 10.539 1.00 0.00 H new ATOM 0 HA MET A 9 -2.313 -1.990 8.510 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.692 -1.211 11.377 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.811 -0.239 10.441 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.388 -1.986 10.244 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.187 -3.241 10.477 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.997 -1.836 13.527 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.724 -0.878 12.051 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.144 -2.603 11.928 1.00 0.00 H new ATOM 99 N VAL A 10 -1.295 -0.048 7.433 1.00 0.00 N ATOM 100 CA VAL A 10 -0.747 1.118 6.763 1.00 0.00 C ATOM 101 C VAL A 10 -1.878 2.099 6.448 1.00 0.00 C ATOM 102 O VAL A 10 -3.016 1.689 6.226 1.00 0.00 O ATOM 103 CB VAL A 10 0.034 0.688 5.519 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.095 -0.356 5.873 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.909 0.165 4.433 1.00 0.00 C ATOM 0 H VAL A 10 -1.935 -0.604 6.866 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.040 1.634 7.413 1.00 0.00 H new ATOM 0 HB VAL A 10 0.545 1.566 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.636 -0.645 4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.793 0.066 6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.613 -1.233 6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.329 -0.134 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.461 -0.695 4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.610 0.950 4.151 1.00 0.00 H new ATOM 115 N PHE A 11 -1.526 3.376 6.440 1.00 0.00 N ATOM 116 CA PHE A 11 -2.497 4.419 6.156 1.00 0.00 C ATOM 117 C PHE A 11 -2.516 4.760 4.665 1.00 0.00 C ATOM 118 O PHE A 11 -1.613 5.430 4.166 1.00 0.00 O ATOM 119 CB PHE A 11 -2.067 5.657 6.945 1.00 0.00 C ATOM 120 CG PHE A 11 -2.666 5.738 8.351 1.00 0.00 C ATOM 121 CD1 PHE A 11 -3.971 6.082 8.515 1.00 0.00 C ATOM 122 CD2 PHE A 11 -1.892 5.467 9.436 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.527 6.157 9.820 1.00 0.00 C ATOM 124 CE2 PHE A 11 -2.447 5.542 10.741 1.00 0.00 C ATOM 125 CZ PHE A 11 -3.753 5.885 10.905 1.00 0.00 C ATOM 0 H PHE A 11 -0.581 3.712 6.626 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.495 4.084 6.437 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.980 5.666 7.023 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.354 6.548 6.387 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.585 6.298 7.653 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.855 5.195 9.305 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.564 6.430 9.951 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.833 5.327 11.603 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.176 5.941 11.897 1.00 0.00 H new ATOM 135 N ILE A 12 -3.554 4.283 3.994 1.00 0.00 N ATOM 136 CA ILE A 12 -3.703 4.529 2.570 1.00 0.00 C ATOM 137 C ILE A 12 -4.361 5.894 2.359 1.00 0.00 C ATOM 138 O ILE A 12 -5.184 6.322 3.166 1.00 0.00 O ATOM 139 CB ILE A 12 -4.452 3.375 1.902 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.907 2.024 2.370 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.419 3.509 0.378 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.581 1.699 1.681 1.00 0.00 C ATOM 0 H ILE A 12 -4.301 3.727 4.411 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.727 4.567 2.086 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.497 3.424 2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.765 2.040 3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.634 1.241 2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.959 2.676 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.890 4.447 0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.385 3.499 0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.216 0.734 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.732 1.660 0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.849 2.471 1.917 1.00 0.00 H new ATOM 154 N SER A 13 -3.974 6.540 1.268 1.00 0.00 N ATOM 155 CA SER A 13 -4.517 7.847 0.940 1.00 0.00 C ATOM 156 C SER A 13 -4.370 8.114 -0.559 1.00 0.00 C ATOM 157 O SER A 13 -3.278 7.988 -1.111 1.00 0.00 O ATOM 158 CB SER A 13 -3.825 8.948 1.746 1.00 0.00 C ATOM 159 OG SER A 13 -2.518 8.564 2.162 1.00 0.00 O ATOM 0 H SER A 13 -3.291 6.182 0.600 1.00 0.00 H new ATOM 0 HA SER A 13 -5.575 7.853 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.762 9.854 1.143 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.428 9.190 2.622 1.00 0.00 H new ATOM 0 HG SER A 13 -1.948 9.359 2.226 1.00 0.00 H new ATOM 165 N SER A 14 -5.485 8.477 -1.175 1.00 0.00 N ATOM 166 CA SER A 14 -5.494 8.763 -2.600 1.00 0.00 C ATOM 167 C SER A 14 -6.112 10.139 -2.854 1.00 0.00 C ATOM 168 O SER A 14 -6.995 10.573 -2.116 1.00 0.00 O ATOM 169 CB SER A 14 -6.259 7.686 -3.373 1.00 0.00 C ATOM 170 OG SER A 14 -7.504 7.370 -2.757 1.00 0.00 O ATOM 0 H SER A 14 -6.389 8.580 -0.714 1.00 0.00 H new ATOM 0 HA SER A 14 -4.463 8.764 -2.955 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.436 8.028 -4.393 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.649 6.785 -3.440 1.00 0.00 H new ATOM 0 HG SER A 14 -8.189 7.247 -3.447 1.00 0.00 H new ATOM 176 N SER A 15 -5.624 10.787 -3.901 1.00 0.00 N ATOM 177 CA SER A 15 -6.118 12.105 -4.262 1.00 0.00 C ATOM 178 C SER A 15 -7.592 12.021 -4.663 1.00 0.00 C ATOM 179 O SER A 15 -8.322 13.006 -4.567 1.00 0.00 O ATOM 180 CB SER A 15 -5.293 12.710 -5.400 1.00 0.00 C ATOM 181 OG SER A 15 -4.904 14.053 -5.122 1.00 0.00 O ATOM 0 H SER A 15 -4.892 10.424 -4.511 1.00 0.00 H new ATOM 0 HA SER A 15 -6.021 12.755 -3.393 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.404 12.102 -5.566 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.874 12.684 -6.322 1.00 0.00 H new ATOM 0 HG SER A 15 -4.378 14.403 -5.871 1.00 0.00 H new ATOM 187 N LEU A 16 -7.985 10.834 -5.102 1.00 0.00 N ATOM 188 CA LEU A 16 -9.359 10.608 -5.518 1.00 0.00 C ATOM 189 C LEU A 16 -10.285 10.766 -4.310 1.00 0.00 C ATOM 190 O LEU A 16 -11.282 11.483 -4.378 1.00 0.00 O ATOM 191 CB LEU A 16 -9.491 9.255 -6.220 1.00 0.00 C ATOM 192 CG LEU A 16 -8.566 9.029 -7.418 1.00 0.00 C ATOM 193 CD1 LEU A 16 -8.159 7.558 -7.526 1.00 0.00 C ATOM 194 CD2 LEU A 16 -9.205 9.543 -8.709 1.00 0.00 C ATOM 0 H LEU A 16 -7.376 10.019 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.662 11.354 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.305 8.469 -5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.522 9.141 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.654 9.605 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.502 7.424 -8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.635 7.258 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.050 6.942 -7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.527 9.370 -9.545 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.142 9.015 -8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.403 10.611 -8.617 1.00 0.00 H new ATOM 206 N ASN A 17 -9.922 10.086 -3.233 1.00 0.00 N ATOM 207 CA ASN A 17 -10.707 10.141 -2.012 1.00 0.00 C ATOM 208 C ASN A 17 -10.146 11.234 -1.099 1.00 0.00 C ATOM 209 O ASN A 17 -8.937 11.308 -0.886 1.00 0.00 O ATOM 210 CB ASN A 17 -10.644 8.814 -1.255 1.00 0.00 C ATOM 211 CG ASN A 17 -11.730 7.852 -1.741 1.00 0.00 C ATOM 212 OD1 ASN A 17 -12.789 7.721 -1.150 1.00 0.00 O ATOM 213 ND2 ASN A 17 -11.410 7.190 -2.849 1.00 0.00 N ATOM 0 H ASN A 17 -9.094 9.493 -3.181 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.741 10.350 -2.286 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.663 8.359 -1.392 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.765 8.995 -0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.069 6.525 -3.254 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.506 7.347 -3.294 1.00 0.00 H new ATOM 220 N SER A 18 -11.051 12.053 -0.585 1.00 0.00 N ATOM 221 CA SER A 18 -10.661 13.138 0.300 1.00 0.00 C ATOM 222 C SER A 18 -10.604 12.639 1.745 1.00 0.00 C ATOM 223 O SER A 18 -11.207 13.235 2.636 1.00 0.00 O ATOM 224 CB SER A 18 -11.629 14.318 0.184 1.00 0.00 C ATOM 225 OG SER A 18 -11.010 15.552 0.536 1.00 0.00 O ATOM 0 H SER A 18 -12.053 11.988 -0.764 1.00 0.00 H new ATOM 0 HA SER A 18 -9.671 13.484 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.005 14.379 -0.837 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.489 14.146 0.831 1.00 0.00 H new ATOM 0 HG SER A 18 -11.659 16.281 0.448 1.00 0.00 H new ATOM 231 N PHE A 19 -9.871 11.551 1.933 1.00 0.00 N ATOM 232 CA PHE A 19 -9.727 10.965 3.255 1.00 0.00 C ATOM 233 C PHE A 19 -8.664 9.864 3.254 1.00 0.00 C ATOM 234 O PHE A 19 -8.080 9.561 2.214 1.00 0.00 O ATOM 235 CB PHE A 19 -11.079 10.351 3.622 1.00 0.00 C ATOM 236 CG PHE A 19 -11.456 10.512 5.096 1.00 0.00 C ATOM 237 CD1 PHE A 19 -11.687 11.751 5.607 1.00 0.00 C ATOM 238 CD2 PHE A 19 -11.559 9.417 5.896 1.00 0.00 C ATOM 239 CE1 PHE A 19 -12.037 11.901 6.976 1.00 0.00 C ATOM 240 CE2 PHE A 19 -11.909 9.566 7.264 1.00 0.00 C ATOM 241 CZ PHE A 19 -12.140 10.805 7.775 1.00 0.00 C ATOM 0 H PHE A 19 -9.371 11.060 1.192 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.420 11.729 3.969 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.854 10.810 3.007 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.063 9.289 3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.604 12.621 4.972 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.374 8.433 5.490 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.221 12.885 7.382 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.992 8.696 7.898 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.405 10.919 8.816 1.00 0.00 H new ATOM 251 N ARG A 20 -8.445 9.296 4.430 1.00 0.00 N ATOM 252 CA ARG A 20 -7.462 8.236 4.578 1.00 0.00 C ATOM 253 C ARG A 20 -8.154 6.872 4.608 1.00 0.00 C ATOM 254 O ARG A 20 -9.291 6.758 5.065 1.00 0.00 O ATOM 255 CB ARG A 20 -6.647 8.415 5.860 1.00 0.00 C ATOM 256 CG ARG A 20 -5.179 8.704 5.541 1.00 0.00 C ATOM 257 CD ARG A 20 -4.809 10.142 5.911 1.00 0.00 C ATOM 258 NE ARG A 20 -3.990 10.746 4.837 1.00 0.00 N ATOM 259 CZ ARG A 20 -3.702 12.053 4.756 1.00 0.00 C ATOM 260 NH1 ARG A 20 -4.166 12.899 5.686 1.00 0.00 N ATOM 261 NH2 ARG A 20 -2.951 12.512 3.746 1.00 0.00 N ATOM 0 H ARG A 20 -8.931 9.550 5.290 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.788 8.287 3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.063 9.233 6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.720 7.515 6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.541 8.009 6.087 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.995 8.539 4.479 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.713 10.731 6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.257 10.154 6.851 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.621 10.129 4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.738 12.548 6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.947 13.893 5.625 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.598 11.867 3.039 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.732 13.506 3.684 1.00 0.00 H new ATOM 275 N SER A 21 -7.439 5.870 4.117 1.00 0.00 N ATOM 276 CA SER A 21 -7.970 4.518 4.082 1.00 0.00 C ATOM 277 C SER A 21 -7.122 3.600 4.965 1.00 0.00 C ATOM 278 O SER A 21 -5.903 3.542 4.815 1.00 0.00 O ATOM 279 CB SER A 21 -8.018 3.982 2.650 1.00 0.00 C ATOM 280 OG SER A 21 -7.529 4.932 1.707 1.00 0.00 O ATOM 0 H SER A 21 -6.496 5.968 3.740 1.00 0.00 H new ATOM 0 HA SER A 21 -8.990 4.541 4.467 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.426 3.069 2.585 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.044 3.715 2.397 1.00 0.00 H new ATOM 0 HG SER A 21 -7.575 4.551 0.805 1.00 0.00 H new ATOM 286 N GLU A 22 -7.802 2.906 5.865 1.00 0.00 N ATOM 287 CA GLU A 22 -7.126 1.993 6.772 1.00 0.00 C ATOM 288 C GLU A 22 -7.238 0.556 6.259 1.00 0.00 C ATOM 289 O GLU A 22 -8.252 -0.107 6.475 1.00 0.00 O ATOM 290 CB GLU A 22 -7.687 2.115 8.191 1.00 0.00 C ATOM 291 CG GLU A 22 -6.911 1.225 9.164 1.00 0.00 C ATOM 292 CD GLU A 22 -7.008 1.763 10.594 1.00 0.00 C ATOM 293 OE1 GLU A 22 -8.134 2.138 10.984 1.00 0.00 O ATOM 294 OE2 GLU A 22 -5.953 1.786 11.263 1.00 0.00 O ATOM 0 H GLU A 22 -8.814 2.957 5.986 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.071 2.263 6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.633 3.153 8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.740 1.834 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.304 0.209 9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.865 1.174 8.861 1.00 0.00 H new ATOM 301 N LYS A 23 -6.182 0.116 5.591 1.00 0.00 N ATOM 302 CA LYS A 23 -6.149 -1.231 5.046 1.00 0.00 C ATOM 303 C LYS A 23 -5.102 -2.055 5.799 1.00 0.00 C ATOM 304 O LYS A 23 -4.454 -1.554 6.716 1.00 0.00 O ATOM 305 CB LYS A 23 -5.929 -1.191 3.533 1.00 0.00 C ATOM 306 CG LYS A 23 -7.231 -0.867 2.798 1.00 0.00 C ATOM 307 CD LYS A 23 -8.275 -1.963 3.022 1.00 0.00 C ATOM 308 CE LYS A 23 -9.413 -1.852 2.007 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.685 -2.322 2.600 1.00 0.00 N ATOM 0 H LYS A 23 -5.343 0.668 5.415 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.109 -1.725 5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.175 -0.442 3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.544 -2.152 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.622 0.089 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.034 -0.760 1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.803 -2.942 2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.676 -1.887 4.033 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.518 -0.817 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.177 -2.443 1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.447 -2.240 1.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.587 -3.316 2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.916 -1.741 3.431 1.00 0.00 H new ATOM 323 N ARG A 24 -4.970 -3.306 5.383 1.00 0.00 N ATOM 324 CA ARG A 24 -4.013 -4.205 6.006 1.00 0.00 C ATOM 325 C ARG A 24 -3.301 -5.043 4.942 1.00 0.00 C ATOM 326 O ARG A 24 -3.921 -5.478 3.973 1.00 0.00 O ATOM 327 CB ARG A 24 -4.702 -5.138 7.003 1.00 0.00 C ATOM 328 CG ARG A 24 -3.726 -6.189 7.535 1.00 0.00 C ATOM 329 CD ARG A 24 -4.462 -7.266 8.335 1.00 0.00 C ATOM 330 NE ARG A 24 -4.061 -8.610 7.863 1.00 0.00 N ATOM 331 CZ ARG A 24 -4.800 -9.715 8.025 1.00 0.00 C ATOM 332 NH1 ARG A 24 -5.985 -9.643 8.648 1.00 0.00 N ATOM 333 NH2 ARG A 24 -4.356 -10.892 7.564 1.00 0.00 N ATOM 0 H ARG A 24 -5.510 -3.718 4.622 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.285 -3.595 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.104 -4.557 7.833 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.546 -5.631 6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.193 -6.649 6.703 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.978 -5.709 8.166 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.235 -7.161 9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.539 -7.140 8.226 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.165 -8.700 7.384 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.323 -8.747 8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.548 -10.484 8.772 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.455 -10.947 7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.919 -11.733 7.688 1.00 0.00 H new ATOM 347 N TYR A 25 -2.010 -5.244 5.159 1.00 0.00 N ATOM 348 CA TYR A 25 -1.207 -6.022 4.230 1.00 0.00 C ATOM 349 C TYR A 25 -0.019 -6.670 4.943 1.00 0.00 C ATOM 350 O TYR A 25 0.357 -6.252 6.037 1.00 0.00 O ATOM 351 CB TYR A 25 -0.683 -5.029 3.191 1.00 0.00 C ATOM 352 CG TYR A 25 -1.745 -4.062 2.664 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.061 -2.926 3.382 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.386 -4.324 1.470 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.060 -2.016 2.886 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.386 -3.414 0.974 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.673 -2.304 1.707 1.00 0.00 C ATOM 358 OH TYR A 25 -4.617 -1.444 1.238 1.00 0.00 O ATOM 0 H TYR A 25 -1.500 -4.882 5.964 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.801 -6.819 3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.131 -4.454 3.632 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.263 -5.584 2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.559 -2.720 4.316 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.138 -5.212 0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.317 -1.124 3.438 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.896 -3.608 0.042 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.216 -0.560 1.102 1.00 0.00 H new ATOM 368 N SER A 26 0.539 -7.682 4.294 1.00 0.00 N ATOM 369 CA SER A 26 1.677 -8.392 4.852 1.00 0.00 C ATOM 370 C SER A 26 2.981 -7.757 4.364 1.00 0.00 C ATOM 371 O SER A 26 3.043 -7.232 3.254 1.00 0.00 O ATOM 372 CB SER A 26 1.638 -9.875 4.480 1.00 0.00 C ATOM 373 OG SER A 26 2.565 -10.643 5.243 1.00 0.00 O ATOM 0 H SER A 26 0.224 -8.027 3.387 1.00 0.00 H new ATOM 0 HA SER A 26 1.627 -8.316 5.938 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.631 -10.262 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.861 -9.988 3.419 1.00 0.00 H new ATOM 0 HG SER A 26 2.508 -11.584 4.976 1.00 0.00 H new ATOM 379 N ARG A 27 3.992 -7.826 5.219 1.00 0.00 N ATOM 380 CA ARG A 27 5.290 -7.265 4.888 1.00 0.00 C ATOM 381 C ARG A 27 5.982 -8.118 3.824 1.00 0.00 C ATOM 382 O ARG A 27 7.058 -7.765 3.342 1.00 0.00 O ATOM 383 CB ARG A 27 6.185 -7.181 6.126 1.00 0.00 C ATOM 384 CG ARG A 27 5.696 -6.093 7.085 1.00 0.00 C ATOM 385 CD ARG A 27 6.765 -5.760 8.128 1.00 0.00 C ATOM 386 NE ARG A 27 6.298 -6.157 9.475 1.00 0.00 N ATOM 387 CZ ARG A 27 7.057 -6.105 10.578 1.00 0.00 C ATOM 388 NH1 ARG A 27 8.323 -5.673 10.501 1.00 0.00 N ATOM 389 NH2 ARG A 27 6.550 -6.486 11.759 1.00 0.00 N ATOM 0 H ARG A 27 3.938 -8.262 6.140 1.00 0.00 H new ATOM 0 HA ARG A 27 5.127 -6.259 4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.195 -8.143 6.637 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.211 -6.970 5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.440 -5.195 6.522 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.786 -6.426 7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.693 -6.279 7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.983 -4.692 8.110 1.00 0.00 H new ATOM 0 HE ARG A 27 5.339 -6.491 9.570 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.709 -5.384 9.602 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.900 -5.634 11.341 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.586 -6.815 11.818 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.128 -6.446 12.599 1.00 0.00 H new ATOM 403 N SER A 28 5.338 -9.226 3.488 1.00 0.00 N ATOM 404 CA SER A 28 5.878 -10.132 2.489 1.00 0.00 C ATOM 405 C SER A 28 5.277 -9.817 1.117 1.00 0.00 C ATOM 406 O SER A 28 5.775 -10.288 0.095 1.00 0.00 O ATOM 407 CB SER A 28 5.606 -11.591 2.865 1.00 0.00 C ATOM 408 OG SER A 28 6.360 -11.997 4.004 1.00 0.00 O ATOM 0 H SER A 28 4.447 -9.517 3.890 1.00 0.00 H new ATOM 0 HA SER A 28 6.958 -9.990 2.447 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.543 -11.721 3.068 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.850 -12.235 2.020 1.00 0.00 H new ATOM 0 HG SER A 28 6.158 -12.933 4.214 1.00 0.00 H new ATOM 414 N LEU A 29 4.217 -9.023 1.139 1.00 0.00 N ATOM 415 CA LEU A 29 3.544 -8.640 -0.090 1.00 0.00 C ATOM 416 C LEU A 29 4.494 -7.800 -0.946 1.00 0.00 C ATOM 417 O LEU A 29 4.965 -6.751 -0.509 1.00 0.00 O ATOM 418 CB LEU A 29 2.217 -7.944 0.220 1.00 0.00 C ATOM 419 CG LEU A 29 0.975 -8.838 0.219 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.301 -8.002 0.337 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.954 -9.746 -1.012 1.00 0.00 C ATOM 0 H LEU A 29 3.808 -8.634 1.989 1.00 0.00 H new ATOM 0 HA LEU A 29 3.285 -9.523 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.298 -7.469 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.068 -7.148 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 29 1.018 -9.485 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.169 -8.661 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.279 -7.434 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.365 -7.314 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.061 -10.371 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.945 -9.135 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.841 -10.380 -1.012 1.00 0.00 H new ATOM 433 N THR A 30 4.747 -8.292 -2.150 1.00 0.00 N ATOM 434 CA THR A 30 5.632 -7.599 -3.071 1.00 0.00 C ATOM 435 C THR A 30 5.007 -6.275 -3.516 1.00 0.00 C ATOM 436 O THR A 30 3.822 -6.221 -3.839 1.00 0.00 O ATOM 437 CB THR A 30 5.941 -8.546 -4.232 1.00 0.00 C ATOM 438 OG1 THR A 30 4.711 -8.633 -4.946 1.00 0.00 O ATOM 439 CG2 THR A 30 6.203 -9.979 -3.765 1.00 0.00 C ATOM 0 H THR A 30 4.355 -9.162 -2.509 1.00 0.00 H new ATOM 0 HA THR A 30 6.574 -7.333 -2.591 1.00 0.00 H new ATOM 0 HB THR A 30 6.809 -8.178 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.822 -9.227 -5.717 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.417 -10.610 -4.628 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.056 -9.990 -3.087 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.323 -10.360 -3.247 1.00 0.00 H new ATOM 447 N ILE A 31 5.834 -5.239 -3.520 1.00 0.00 N ATOM 448 CA ILE A 31 5.378 -3.919 -3.920 1.00 0.00 C ATOM 449 C ILE A 31 4.367 -4.058 -5.061 1.00 0.00 C ATOM 450 O ILE A 31 3.373 -3.335 -5.104 1.00 0.00 O ATOM 451 CB ILE A 31 6.569 -3.021 -4.260 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.481 -2.837 -3.045 1.00 0.00 C ATOM 453 CG2 ILE A 31 6.100 -1.682 -4.832 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.709 -2.247 -1.863 1.00 0.00 C ATOM 0 H ILE A 31 6.817 -5.288 -3.252 1.00 0.00 H new ATOM 0 HA ILE A 31 4.863 -3.427 -3.095 1.00 0.00 H new ATOM 0 HB ILE A 31 7.158 -3.513 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.911 -3.797 -2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.311 -2.181 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.966 -1.063 -5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.523 -1.856 -5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.476 -1.172 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.381 -2.127 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.301 -1.276 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.894 -2.918 -1.589 1.00 0.00 H new ATOM 466 N ALA A 32 4.657 -4.991 -5.955 1.00 0.00 N ATOM 467 CA ALA A 32 3.786 -5.233 -7.093 1.00 0.00 C ATOM 468 C ALA A 32 2.418 -5.701 -6.592 1.00 0.00 C ATOM 469 O ALA A 32 1.397 -5.094 -6.909 1.00 0.00 O ATOM 470 CB ALA A 32 4.442 -6.249 -8.031 1.00 0.00 C ATOM 0 H ALA A 32 5.483 -5.589 -5.915 1.00 0.00 H new ATOM 0 HA ALA A 32 3.633 -4.316 -7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.789 -6.431 -8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.397 -5.857 -8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.608 -7.184 -7.496 1.00 0.00 H new ATOM 476 N GLU A 33 2.443 -6.775 -5.817 1.00 0.00 N ATOM 477 CA GLU A 33 1.217 -7.331 -5.269 1.00 0.00 C ATOM 478 C GLU A 33 0.502 -6.290 -4.405 1.00 0.00 C ATOM 479 O GLU A 33 -0.699 -6.073 -4.556 1.00 0.00 O ATOM 480 CB GLU A 33 1.502 -8.604 -4.470 1.00 0.00 C ATOM 481 CG GLU A 33 1.864 -9.765 -5.399 1.00 0.00 C ATOM 482 CD GLU A 33 0.619 -10.561 -5.793 1.00 0.00 C ATOM 483 OE1 GLU A 33 -0.442 -9.917 -5.945 1.00 0.00 O ATOM 484 OE2 GLU A 33 0.755 -11.796 -5.932 1.00 0.00 O ATOM 0 H GLU A 33 3.293 -7.275 -5.555 1.00 0.00 H new ATOM 0 HA GLU A 33 0.561 -7.600 -6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.319 -8.424 -3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.627 -8.868 -3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.352 -9.380 -6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.579 -10.422 -4.904 1.00 0.00 H new ATOM 491 N PHE A 34 1.271 -5.674 -3.519 1.00 0.00 N ATOM 492 CA PHE A 34 0.726 -4.661 -2.631 1.00 0.00 C ATOM 493 C PHE A 34 -0.230 -3.731 -3.382 1.00 0.00 C ATOM 494 O PHE A 34 -1.355 -3.505 -2.941 1.00 0.00 O ATOM 495 CB PHE A 34 1.908 -3.843 -2.107 1.00 0.00 C ATOM 496 CG PHE A 34 1.510 -2.721 -1.146 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.321 -2.778 -0.489 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.346 -1.666 -0.950 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.048 -1.736 0.403 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.977 -0.624 -0.058 1.00 0.00 C ATOM 501 CZ PHE A 34 0.788 -0.681 0.599 1.00 0.00 C ATOM 0 H PHE A 34 2.267 -5.857 -3.397 1.00 0.00 H new ATOM 0 HA PHE A 34 0.169 -5.135 -1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.604 -4.512 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.441 -3.410 -2.954 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.343 -3.615 -0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.290 -1.621 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.992 -1.781 0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.641 0.213 0.098 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.507 0.112 1.277 1.00 0.00 H new ATOM 511 N LYS A 35 0.254 -3.217 -4.503 1.00 0.00 N ATOM 512 CA LYS A 35 -0.543 -2.317 -5.319 1.00 0.00 C ATOM 513 C LYS A 35 -1.806 -3.043 -5.786 1.00 0.00 C ATOM 514 O LYS A 35 -2.907 -2.500 -5.695 1.00 0.00 O ATOM 515 CB LYS A 35 0.297 -1.746 -6.464 1.00 0.00 C ATOM 516 CG LYS A 35 1.533 -1.022 -5.928 1.00 0.00 C ATOM 517 CD LYS A 35 2.630 -0.948 -6.993 1.00 0.00 C ATOM 518 CE LYS A 35 3.757 -0.010 -6.556 1.00 0.00 C ATOM 519 NZ LYS A 35 3.901 1.108 -7.514 1.00 0.00 N ATOM 0 H LYS A 35 1.188 -3.407 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.867 -1.457 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.604 -2.551 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.306 -1.056 -7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.260 -0.015 -5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.910 -1.542 -5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.032 -1.945 -7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.205 -0.598 -7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.547 0.381 -5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.694 -0.563 -6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.670 1.735 -7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.123 0.730 -8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.012 1.646 -7.556 1.00 0.00 H new ATOM 533 N CYS A 36 -1.606 -4.258 -6.274 1.00 0.00 N ATOM 534 CA CYS A 36 -2.716 -5.063 -6.755 1.00 0.00 C ATOM 535 C CYS A 36 -3.863 -4.951 -5.748 1.00 0.00 C ATOM 536 O CYS A 36 -5.032 -4.985 -6.127 1.00 0.00 O ATOM 537 CB CYS A 36 -2.301 -6.517 -6.988 1.00 0.00 C ATOM 538 SG CYS A 36 -3.138 -7.177 -8.476 1.00 0.00 S ATOM 0 H CYS A 36 -0.692 -4.705 -6.347 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.047 -4.689 -7.724 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.220 -6.580 -7.111 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.558 -7.121 -6.118 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.749 -6.211 -9.095 1.00 0.00 H new ATOM 544 N LYS A 37 -3.487 -4.821 -4.484 1.00 0.00 N ATOM 545 CA LYS A 37 -4.469 -4.704 -3.420 1.00 0.00 C ATOM 546 C LYS A 37 -5.110 -3.316 -3.473 1.00 0.00 C ATOM 547 O LYS A 37 -6.331 -3.189 -3.397 1.00 0.00 O ATOM 548 CB LYS A 37 -3.836 -5.037 -2.067 1.00 0.00 C ATOM 549 CG LYS A 37 -3.208 -6.432 -2.085 1.00 0.00 C ATOM 550 CD LYS A 37 -4.123 -7.454 -1.407 1.00 0.00 C ATOM 551 CE LYS A 37 -3.674 -8.883 -1.718 1.00 0.00 C ATOM 552 NZ LYS A 37 -4.800 -9.829 -1.548 1.00 0.00 N ATOM 0 H LYS A 37 -2.516 -4.794 -4.173 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.269 -5.431 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.075 -4.295 -1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.593 -4.985 -1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.017 -6.736 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.244 -6.407 -1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.117 -7.294 -0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.149 -7.310 -1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.296 -8.938 -2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.853 -9.164 -1.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.478 -10.794 -1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.142 -9.789 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.572 -9.570 -2.195 1.00 0.00 H new ATOM 566 N LEU A 38 -4.257 -2.310 -3.604 1.00 0.00 N ATOM 567 CA LEU A 38 -4.725 -0.936 -3.668 1.00 0.00 C ATOM 568 C LEU A 38 -5.676 -0.781 -4.856 1.00 0.00 C ATOM 569 O LEU A 38 -6.611 0.018 -4.808 1.00 0.00 O ATOM 570 CB LEU A 38 -3.541 0.032 -3.698 1.00 0.00 C ATOM 571 CG LEU A 38 -2.471 -0.184 -2.626 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.209 0.622 -2.941 1.00 0.00 C ATOM 573 CD2 LEU A 38 -3.019 0.131 -1.233 1.00 0.00 C ATOM 0 H LEU A 38 -3.245 -2.419 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.291 -0.684 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.066 -0.037 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.925 1.048 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.190 -1.237 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.464 0.451 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.807 0.307 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.455 1.683 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.238 -0.031 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.345 1.171 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.865 -0.522 -1.019 1.00 0.00 H new ATOM 585 N GLU A 39 -5.406 -1.557 -5.895 1.00 0.00 N ATOM 586 CA GLU A 39 -6.226 -1.516 -7.094 1.00 0.00 C ATOM 587 C GLU A 39 -7.709 -1.606 -6.726 1.00 0.00 C ATOM 588 O GLU A 39 -8.563 -1.097 -7.449 1.00 0.00 O ATOM 589 CB GLU A 39 -5.834 -2.631 -8.065 1.00 0.00 C ATOM 590 CG GLU A 39 -4.403 -2.438 -8.572 1.00 0.00 C ATOM 591 CD GLU A 39 -4.080 -3.429 -9.693 1.00 0.00 C ATOM 592 OE1 GLU A 39 -4.325 -4.634 -9.473 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.596 -2.958 -10.745 1.00 0.00 O ATOM 0 H GLU A 39 -4.630 -2.218 -5.932 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.053 -0.564 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.921 -3.598 -7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.524 -2.643 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.277 -1.418 -8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.701 -2.572 -7.749 1.00 0.00 H new ATOM 600 N LEU A 40 -7.968 -2.259 -5.602 1.00 0.00 N ATOM 601 CA LEU A 40 -9.332 -2.422 -5.130 1.00 0.00 C ATOM 602 C LEU A 40 -9.669 -1.291 -4.157 1.00 0.00 C ATOM 603 O LEU A 40 -10.836 -0.938 -3.989 1.00 0.00 O ATOM 604 CB LEU A 40 -9.531 -3.820 -4.540 1.00 0.00 C ATOM 605 CG LEU A 40 -9.895 -3.876 -3.055 1.00 0.00 C ATOM 606 CD1 LEU A 40 -11.366 -3.516 -2.837 1.00 0.00 C ATOM 607 CD2 LEU A 40 -9.542 -5.239 -2.456 1.00 0.00 C ATOM 0 H LEU A 40 -7.256 -2.681 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.034 -2.348 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.316 -4.323 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.614 -4.390 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.301 -3.129 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.598 -3.564 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.552 -2.507 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.997 -4.221 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.811 -5.253 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.092 -6.020 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.472 -5.416 -2.560 1.00 0.00 H new ATOM 619 N VAL A 41 -8.627 -0.753 -3.540 1.00 0.00 N ATOM 620 CA VAL A 41 -8.798 0.331 -2.589 1.00 0.00 C ATOM 621 C VAL A 41 -9.134 1.619 -3.344 1.00 0.00 C ATOM 622 O VAL A 41 -10.180 2.223 -3.113 1.00 0.00 O ATOM 623 CB VAL A 41 -7.550 0.460 -1.712 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.770 1.478 -0.591 1.00 0.00 C ATOM 625 CG2 VAL A 41 -7.136 -0.899 -1.145 1.00 0.00 C ATOM 0 H VAL A 41 -7.661 -1.048 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.631 0.122 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.736 0.824 -2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.868 1.550 0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.995 2.453 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.604 1.157 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.247 -0.779 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.948 -1.303 -0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.918 -1.584 -1.964 1.00 0.00 H new ATOM 635 N VAL A 42 -8.226 2.001 -4.230 1.00 0.00 N ATOM 636 CA VAL A 42 -8.412 3.206 -5.020 1.00 0.00 C ATOM 637 C VAL A 42 -9.336 2.899 -6.201 1.00 0.00 C ATOM 638 O VAL A 42 -10.094 3.761 -6.642 1.00 0.00 O ATOM 639 CB VAL A 42 -7.055 3.764 -5.452 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.413 4.578 -4.327 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.124 2.642 -5.918 1.00 0.00 C ATOM 0 H VAL A 42 -7.359 1.497 -4.418 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.892 3.982 -4.424 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.221 4.433 -6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.449 4.963 -4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.065 5.411 -4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.267 3.941 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.166 3.066 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.968 1.936 -5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.574 2.124 -6.765 1.00 0.00 H new ATOM 651 N GLY A 43 -9.241 1.667 -6.679 1.00 0.00 N ATOM 652 CA GLY A 43 -10.059 1.234 -7.800 1.00 0.00 C ATOM 653 C GLY A 43 -9.341 1.480 -9.129 1.00 0.00 C ATOM 654 O GLY A 43 -9.896 1.222 -10.196 1.00 0.00 O ATOM 0 H GLY A 43 -8.610 0.955 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.290 0.174 -7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.008 1.770 -7.791 1.00 0.00 H new ATOM 658 N SER A 44 -8.117 1.977 -9.021 1.00 0.00 N ATOM 659 CA SER A 44 -7.318 2.260 -10.201 1.00 0.00 C ATOM 660 C SER A 44 -6.283 1.153 -10.410 1.00 0.00 C ATOM 661 O SER A 44 -6.123 0.279 -9.559 1.00 0.00 O ATOM 662 CB SER A 44 -6.625 3.619 -10.083 1.00 0.00 C ATOM 663 OG SER A 44 -6.794 4.195 -8.790 1.00 0.00 O ATOM 0 H SER A 44 -7.660 2.191 -8.135 1.00 0.00 H new ATOM 0 HA SER A 44 -7.983 2.295 -11.064 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.562 3.503 -10.292 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.026 4.297 -10.837 1.00 0.00 H new ATOM 0 HG SER A 44 -6.336 5.060 -8.755 1.00 0.00 H new ATOM 669 N PRO A 45 -5.589 1.228 -11.577 1.00 0.00 N ATOM 670 CA PRO A 45 -4.574 0.243 -11.909 1.00 0.00 C ATOM 671 C PRO A 45 -3.299 0.474 -11.096 1.00 0.00 C ATOM 672 O PRO A 45 -2.865 1.613 -10.926 1.00 0.00 O ATOM 673 CB PRO A 45 -4.359 0.390 -13.407 1.00 0.00 C ATOM 674 CG PRO A 45 -4.914 1.755 -13.776 1.00 0.00 C ATOM 675 CD PRO A 45 -5.752 2.249 -12.608 1.00 0.00 C ATOM 0 HA PRO A 45 -4.878 -0.774 -11.662 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.301 0.318 -13.659 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.872 -0.401 -13.955 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.103 2.453 -13.986 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.520 1.689 -14.680 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.409 3.223 -12.259 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.798 2.362 -12.891 1.00 0.00 H new ATOM 683 N ALA A 46 -2.735 -0.624 -10.615 1.00 0.00 N ATOM 684 CA ALA A 46 -1.518 -0.555 -9.824 1.00 0.00 C ATOM 685 C ALA A 46 -0.336 -0.237 -10.741 1.00 0.00 C ATOM 686 O ALA A 46 0.703 0.233 -10.280 1.00 0.00 O ATOM 687 CB ALA A 46 -1.329 -1.869 -9.063 1.00 0.00 C ATOM 0 H ALA A 46 -3.098 -1.566 -10.758 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.585 0.243 -9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.416 -1.818 -8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.181 -2.034 -8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.255 -2.693 -9.773 1.00 0.00 H new ATOM 693 N SER A 47 -0.534 -0.505 -12.023 1.00 0.00 N ATOM 694 CA SER A 47 0.503 -0.254 -13.009 1.00 0.00 C ATOM 695 C SER A 47 0.518 1.229 -13.386 1.00 0.00 C ATOM 696 O SER A 47 1.270 1.642 -14.268 1.00 0.00 O ATOM 697 CB SER A 47 0.298 -1.116 -14.257 1.00 0.00 C ATOM 698 OG SER A 47 1.515 -1.709 -14.701 1.00 0.00 O ATOM 0 H SER A 47 -1.398 -0.894 -12.402 1.00 0.00 H new ATOM 0 HA SER A 47 1.464 -0.521 -12.570 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.429 -1.899 -14.042 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.120 -0.504 -15.056 1.00 0.00 H new ATOM 0 HG SER A 47 1.342 -2.252 -15.498 1.00 0.00 H new ATOM 704 N CYS A 48 -0.321 1.990 -12.699 1.00 0.00 N ATOM 705 CA CYS A 48 -0.413 3.418 -12.950 1.00 0.00 C ATOM 706 C CYS A 48 -0.203 4.154 -11.625 1.00 0.00 C ATOM 707 O CYS A 48 0.751 4.916 -11.478 1.00 0.00 O ATOM 708 CB CYS A 48 -1.744 3.792 -13.606 1.00 0.00 C ATOM 709 SG CYS A 48 -1.782 3.191 -15.333 1.00 0.00 S ATOM 0 H CYS A 48 -0.943 1.644 -11.968 1.00 0.00 H new ATOM 0 HA CYS A 48 0.362 3.716 -13.656 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.571 3.358 -13.043 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.877 4.874 -13.586 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.917 3.512 -15.879 1.00 0.00 H new ATOM 715 N MET A 49 -1.111 3.900 -10.693 1.00 0.00 N ATOM 716 CA MET A 49 -1.037 4.528 -9.386 1.00 0.00 C ATOM 717 C MET A 49 0.361 4.375 -8.782 1.00 0.00 C ATOM 718 O MET A 49 1.006 3.343 -8.955 1.00 0.00 O ATOM 719 CB MET A 49 -2.069 3.890 -8.453 1.00 0.00 C ATOM 720 CG MET A 49 -1.445 2.754 -7.641 1.00 0.00 C ATOM 721 SD MET A 49 -2.663 2.048 -6.543 1.00 0.00 S ATOM 722 CE MET A 49 -3.886 1.525 -7.734 1.00 0.00 C ATOM 0 H MET A 49 -1.901 3.268 -10.818 1.00 0.00 H new ATOM 0 HA MET A 49 -1.248 5.591 -9.502 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.471 4.646 -7.778 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.906 3.507 -9.038 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.059 1.986 -8.311 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.599 3.129 -7.066 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.541 0.781 -7.280 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.478 2.384 -8.049 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.388 1.090 -8.600 1.00 0.00 H new ATOM 732 N GLU A 50 0.787 5.418 -8.085 1.00 0.00 N ATOM 733 CA GLU A 50 2.096 5.413 -7.454 1.00 0.00 C ATOM 734 C GLU A 50 1.952 5.361 -5.932 1.00 0.00 C ATOM 735 O GLU A 50 0.935 5.786 -5.386 1.00 0.00 O ATOM 736 CB GLU A 50 2.918 6.629 -7.886 1.00 0.00 C ATOM 737 CG GLU A 50 4.379 6.246 -8.126 1.00 0.00 C ATOM 738 CD GLU A 50 4.529 5.435 -9.415 1.00 0.00 C ATOM 739 OE1 GLU A 50 4.132 5.971 -10.472 1.00 0.00 O ATOM 740 OE2 GLU A 50 5.037 4.297 -9.314 1.00 0.00 O ATOM 0 H GLU A 50 0.249 6.273 -7.943 1.00 0.00 H new ATOM 0 HA GLU A 50 2.631 4.520 -7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.495 7.053 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.862 7.401 -7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.990 7.147 -8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.750 5.665 -7.281 1.00 0.00 H new ATOM 747 N LEU A 51 2.985 4.836 -5.289 1.00 0.00 N ATOM 748 CA LEU A 51 2.986 4.723 -3.841 1.00 0.00 C ATOM 749 C LEU A 51 4.106 5.592 -3.266 1.00 0.00 C ATOM 750 O LEU A 51 5.087 5.879 -3.951 1.00 0.00 O ATOM 751 CB LEU A 51 3.068 3.255 -3.418 1.00 0.00 C ATOM 752 CG LEU A 51 2.140 2.290 -4.158 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.019 0.962 -3.409 1.00 0.00 C ATOM 754 CD2 LEU A 51 0.774 2.931 -4.413 1.00 0.00 C ATOM 0 H LEU A 51 3.827 4.484 -5.745 1.00 0.00 H new ATOM 0 HA LEU A 51 2.049 5.097 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.095 2.916 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.849 3.192 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 51 2.580 2.071 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.354 0.295 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.003 0.502 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.614 1.142 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.133 2.224 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.314 3.198 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.900 3.828 -5.019 1.00 0.00 H new ATOM 766 N GLU A 52 3.922 5.988 -2.015 1.00 0.00 N ATOM 767 CA GLU A 52 4.906 6.819 -1.341 1.00 0.00 C ATOM 768 C GLU A 52 4.940 6.494 0.154 1.00 0.00 C ATOM 769 O GLU A 52 3.913 6.167 0.745 1.00 0.00 O ATOM 770 CB GLU A 52 4.619 8.304 -1.573 1.00 0.00 C ATOM 771 CG GLU A 52 5.379 8.825 -2.794 1.00 0.00 C ATOM 772 CD GLU A 52 5.249 10.345 -2.913 1.00 0.00 C ATOM 773 OE1 GLU A 52 4.169 10.853 -2.542 1.00 0.00 O ATOM 774 OE2 GLU A 52 6.233 10.964 -3.373 1.00 0.00 O ATOM 0 H GLU A 52 3.107 5.749 -1.451 1.00 0.00 H new ATOM 0 HA GLU A 52 5.887 6.602 -1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.549 8.453 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.906 8.876 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.431 8.551 -2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.993 8.352 -3.697 1.00 0.00 H new ATOM 781 N LEU A 53 6.133 6.594 0.721 1.00 0.00 N ATOM 782 CA LEU A 53 6.315 6.315 2.135 1.00 0.00 C ATOM 783 C LEU A 53 6.527 7.630 2.887 1.00 0.00 C ATOM 784 O LEU A 53 7.616 8.202 2.851 1.00 0.00 O ATOM 785 CB LEU A 53 7.442 5.301 2.340 1.00 0.00 C ATOM 786 CG LEU A 53 8.038 5.235 3.748 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.961 4.911 4.785 1.00 0.00 C ATOM 788 CD2 LEU A 53 9.204 4.247 3.804 1.00 0.00 C ATOM 0 H LEU A 53 6.983 6.864 0.227 1.00 0.00 H new ATOM 0 HA LEU A 53 5.420 5.851 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.065 4.312 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.243 5.532 1.638 1.00 0.00 H new ATOM 0 HG LEU A 53 8.438 6.218 3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.411 4.870 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.194 5.685 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.509 3.947 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.609 4.219 4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.852 3.253 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.983 4.563 3.110 1.00 0.00 H new ATOM 800 N TYR A 54 5.470 8.072 3.551 1.00 0.00 N ATOM 801 CA TYR A 54 5.527 9.310 4.311 1.00 0.00 C ATOM 802 C TYR A 54 5.755 9.030 5.798 1.00 0.00 C ATOM 803 O TYR A 54 5.351 7.985 6.306 1.00 0.00 O ATOM 804 CB TYR A 54 4.161 9.976 4.134 1.00 0.00 C ATOM 805 CG TYR A 54 3.973 10.657 2.776 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.624 9.908 1.671 1.00 0.00 C ATOM 807 CD2 TYR A 54 4.152 12.020 2.657 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.446 10.548 0.394 1.00 0.00 C ATOM 809 CE2 TYR A 54 3.974 12.661 1.379 1.00 0.00 C ATOM 810 CZ TYR A 54 3.630 11.893 0.311 1.00 0.00 C ATOM 811 OH TYR A 54 3.463 12.498 -0.896 1.00 0.00 O ATOM 0 H TYR A 54 4.569 7.595 3.579 1.00 0.00 H new ATOM 0 HA TYR A 54 6.347 9.938 3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.382 9.225 4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.024 10.716 4.922 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.484 8.841 1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.426 12.606 3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.173 9.973 -0.478 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.111 13.727 1.272 1.00 0.00 H new ATOM 0 HH TYR A 54 3.346 11.816 -1.590 1.00 0.00 H new ATOM 821 N GLY A 55 6.401 9.983 6.454 1.00 0.00 N ATOM 822 CA GLY A 55 6.688 9.852 7.872 1.00 0.00 C ATOM 823 C GLY A 55 5.398 9.702 8.681 1.00 0.00 C ATOM 824 O GLY A 55 4.639 8.756 8.476 1.00 0.00 O ATOM 0 H GLY A 55 6.734 10.849 6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.329 8.986 8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.239 10.727 8.218 1.00 0.00 H new ATOM 828 N ALA A 56 5.189 10.650 9.583 1.00 0.00 N ATOM 829 CA ALA A 56 4.004 10.635 10.424 1.00 0.00 C ATOM 830 C ALA A 56 3.033 11.718 9.948 1.00 0.00 C ATOM 831 O ALA A 56 1.972 11.411 9.408 1.00 0.00 O ATOM 832 CB ALA A 56 4.413 10.820 11.886 1.00 0.00 C ATOM 0 H ALA A 56 5.820 11.434 9.750 1.00 0.00 H new ATOM 0 HA ALA A 56 3.491 9.676 10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.524 10.809 12.517 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.079 10.010 12.183 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.928 11.774 12.002 1.00 0.00 H new ATOM 838 N ASP A 57 3.432 12.962 10.167 1.00 0.00 N ATOM 839 CA ASP A 57 2.611 14.092 9.768 1.00 0.00 C ATOM 840 C ASP A 57 2.406 14.058 8.252 1.00 0.00 C ATOM 841 O ASP A 57 1.283 14.197 7.770 1.00 0.00 O ATOM 842 CB ASP A 57 3.287 15.418 10.124 1.00 0.00 C ATOM 843 CG ASP A 57 4.023 15.428 11.465 1.00 0.00 C ATOM 844 OD1 ASP A 57 3.635 14.615 12.332 1.00 0.00 O ATOM 845 OD2 ASP A 57 4.957 16.249 11.594 1.00 0.00 O ATOM 0 H ASP A 57 4.313 13.212 10.616 1.00 0.00 H new ATOM 0 HA ASP A 57 1.660 14.020 10.295 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.996 15.670 9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.531 16.203 10.136 1.00 0.00 H new ATOM 850 N ASP A 58 3.510 13.873 7.542 1.00 0.00 N ATOM 851 CA ASP A 58 3.466 13.819 6.091 1.00 0.00 C ATOM 852 C ASP A 58 4.843 14.180 5.529 1.00 0.00 C ATOM 853 O ASP A 58 5.016 15.244 4.938 1.00 0.00 O ATOM 854 CB ASP A 58 2.451 14.820 5.533 1.00 0.00 C ATOM 855 CG ASP A 58 1.083 14.228 5.186 1.00 0.00 C ATOM 856 OD1 ASP A 58 1.075 13.149 4.555 1.00 0.00 O ATOM 857 OD2 ASP A 58 0.077 14.868 5.561 1.00 0.00 O ATOM 0 H ASP A 58 4.440 13.759 7.945 1.00 0.00 H new ATOM 0 HA ASP A 58 3.175 12.810 5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.311 15.617 6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.870 15.278 4.637 1.00 0.00 H new ATOM 862 N LYS A 59 5.786 13.272 5.734 1.00 0.00 N ATOM 863 CA LYS A 59 7.142 13.481 5.256 1.00 0.00 C ATOM 864 C LYS A 59 7.555 12.301 4.374 1.00 0.00 C ATOM 865 O LYS A 59 7.911 11.238 4.881 1.00 0.00 O ATOM 866 CB LYS A 59 8.091 13.734 6.429 1.00 0.00 C ATOM 867 CG LYS A 59 8.338 15.232 6.622 1.00 0.00 C ATOM 868 CD LYS A 59 8.401 15.591 8.108 1.00 0.00 C ATOM 869 CE LYS A 59 9.626 16.454 8.412 1.00 0.00 C ATOM 870 NZ LYS A 59 9.376 17.314 9.590 1.00 0.00 N ATOM 0 H LYS A 59 5.638 12.390 6.225 1.00 0.00 H new ATOM 0 HA LYS A 59 7.193 14.376 4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.669 13.311 7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.039 13.226 6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.271 15.516 6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.542 15.800 6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.495 16.125 8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.437 14.680 8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.490 15.816 8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.866 17.073 7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.218 17.893 9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.564 17.936 9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.170 16.718 10.417 1.00 0.00 H new ATOM 884 N PHE A 60 7.493 12.527 3.070 1.00 0.00 N ATOM 885 CA PHE A 60 7.856 11.496 2.114 1.00 0.00 C ATOM 886 C PHE A 60 9.300 11.034 2.326 1.00 0.00 C ATOM 887 O PHE A 60 10.176 11.843 2.628 1.00 0.00 O ATOM 888 CB PHE A 60 7.731 12.114 0.720 1.00 0.00 C ATOM 889 CG PHE A 60 8.357 11.271 -0.393 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.966 9.981 -0.570 1.00 0.00 C ATOM 891 CD2 PHE A 60 9.303 11.813 -1.206 1.00 0.00 C ATOM 892 CE1 PHE A 60 8.547 9.198 -1.604 1.00 0.00 C ATOM 893 CE2 PHE A 60 9.884 11.031 -2.239 1.00 0.00 C ATOM 894 CZ PHE A 60 9.493 9.740 -2.416 1.00 0.00 C ATOM 0 H PHE A 60 7.197 13.410 2.653 1.00 0.00 H new ATOM 0 HA PHE A 60 7.204 10.631 2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.676 12.268 0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.202 13.097 0.726 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.214 9.551 0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.612 12.838 -1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.237 8.173 -1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.636 11.461 -2.884 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.934 9.145 -3.202 1.00 0.00 H new ATOM 904 N TYR A 61 9.503 9.736 2.160 1.00 0.00 N ATOM 905 CA TYR A 61 10.825 9.157 2.330 1.00 0.00 C ATOM 906 C TYR A 61 11.345 8.581 1.011 1.00 0.00 C ATOM 907 O TYR A 61 12.108 9.235 0.302 1.00 0.00 O ATOM 908 CB TYR A 61 10.661 8.020 3.340 1.00 0.00 C ATOM 909 CG TYR A 61 10.804 8.457 4.799 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.746 9.797 5.126 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.992 7.513 5.787 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.881 10.209 6.499 1.00 0.00 C ATOM 913 CE2 TYR A 61 11.127 7.925 7.161 1.00 0.00 C ATOM 914 CZ TYR A 61 11.065 9.252 7.449 1.00 0.00 C ATOM 915 OH TYR A 61 11.192 9.641 8.746 1.00 0.00 O ATOM 0 H TYR A 61 8.774 9.068 1.909 1.00 0.00 H new ATOM 0 HA TYR A 61 11.535 9.913 2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.680 7.565 3.203 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.403 7.250 3.128 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.599 10.536 4.352 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.038 6.465 5.531 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.837 11.254 6.769 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.274 7.196 7.944 1.00 0.00 H new ATOM 0 HH TYR A 61 11.317 8.852 9.314 1.00 0.00 H new ATOM 925 N SER A 62 10.910 7.363 0.722 1.00 0.00 N ATOM 926 CA SER A 62 11.322 6.692 -0.499 1.00 0.00 C ATOM 927 C SER A 62 10.093 6.304 -1.323 1.00 0.00 C ATOM 928 O SER A 62 8.975 6.296 -0.811 1.00 0.00 O ATOM 929 CB SER A 62 12.166 5.454 -0.189 1.00 0.00 C ATOM 930 OG SER A 62 13.505 5.794 0.161 1.00 0.00 O ATOM 0 H SER A 62 10.277 6.824 1.312 1.00 0.00 H new ATOM 0 HA SER A 62 11.936 7.382 -1.078 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.708 4.898 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.175 4.795 -1.057 1.00 0.00 H new ATOM 0 HG SER A 62 14.010 4.977 0.353 1.00 0.00 H new ATOM 936 N LYS A 63 10.342 5.992 -2.587 1.00 0.00 N ATOM 937 CA LYS A 63 9.269 5.604 -3.487 1.00 0.00 C ATOM 938 C LYS A 63 9.257 4.081 -3.632 1.00 0.00 C ATOM 939 O LYS A 63 10.305 3.462 -3.813 1.00 0.00 O ATOM 940 CB LYS A 63 9.391 6.348 -4.818 1.00 0.00 C ATOM 941 CG LYS A 63 8.689 7.706 -4.753 1.00 0.00 C ATOM 942 CD LYS A 63 7.422 7.709 -5.612 1.00 0.00 C ATOM 943 CE LYS A 63 7.082 9.125 -6.081 1.00 0.00 C ATOM 944 NZ LYS A 63 6.998 9.175 -7.558 1.00 0.00 N ATOM 0 H LYS A 63 11.271 6.000 -3.009 1.00 0.00 H new ATOM 0 HA LYS A 63 8.302 5.893 -3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.443 6.490 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.955 5.747 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.433 7.938 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.367 8.487 -5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.562 7.060 -6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.589 7.302 -5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.134 9.441 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.842 9.823 -5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.305 10.111 -7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.614 8.443 -7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.016 9.007 -7.856 1.00 0.00 H new ATOM 958 N LEU A 64 8.060 3.519 -3.548 1.00 0.00 N ATOM 959 CA LEU A 64 7.898 2.080 -3.668 1.00 0.00 C ATOM 960 C LEU A 64 7.781 1.707 -5.147 1.00 0.00 C ATOM 961 O LEU A 64 6.862 0.989 -5.539 1.00 0.00 O ATOM 962 CB LEU A 64 6.720 1.601 -2.817 1.00 0.00 C ATOM 963 CG LEU A 64 6.837 1.846 -1.312 1.00 0.00 C ATOM 964 CD1 LEU A 64 8.279 2.176 -0.920 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.857 2.928 -0.854 1.00 0.00 C ATOM 0 H LEU A 64 7.193 4.035 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 64 8.774 1.563 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.815 2.092 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.589 0.531 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 64 6.565 0.926 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.334 2.346 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.929 1.344 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.603 3.074 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.961 3.082 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.073 3.860 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.838 2.614 -1.078 1.00 0.00 H new ATOM 977 N ASP A 65 8.725 2.210 -5.929 1.00 0.00 N ATOM 978 CA ASP A 65 8.739 1.938 -7.356 1.00 0.00 C ATOM 979 C ASP A 65 9.136 0.479 -7.589 1.00 0.00 C ATOM 980 O ASP A 65 8.545 -0.204 -8.423 1.00 0.00 O ATOM 981 CB ASP A 65 9.755 2.826 -8.076 1.00 0.00 C ATOM 982 CG ASP A 65 10.396 2.200 -9.317 1.00 0.00 C ATOM 983 OD1 ASP A 65 9.643 1.562 -10.083 1.00 0.00 O ATOM 984 OD2 ASP A 65 11.624 2.375 -9.471 1.00 0.00 O ATOM 0 H ASP A 65 9.486 2.805 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 65 7.742 2.141 -7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.262 3.753 -8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.544 3.093 -7.373 1.00 0.00 H new ATOM 989 N GLN A 66 10.136 0.044 -6.836 1.00 0.00 N ATOM 990 CA GLN A 66 10.620 -1.321 -6.950 1.00 0.00 C ATOM 991 C GLN A 66 9.478 -2.311 -6.712 1.00 0.00 C ATOM 992 O GLN A 66 8.884 -2.331 -5.635 1.00 0.00 O ATOM 993 CB GLN A 66 11.776 -1.576 -5.981 1.00 0.00 C ATOM 994 CG GLN A 66 13.040 -1.997 -6.734 1.00 0.00 C ATOM 995 CD GLN A 66 13.912 -0.783 -7.064 1.00 0.00 C ATOM 996 OE1 GLN A 66 13.465 0.353 -7.063 1.00 0.00 O ATOM 997 NE2 GLN A 66 15.176 -1.085 -7.345 1.00 0.00 N ATOM 0 H GLN A 66 10.624 0.613 -6.145 1.00 0.00 H new ATOM 0 HA GLN A 66 10.998 -1.468 -7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.976 -0.674 -5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.495 -2.354 -5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.609 -2.704 -6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.765 -2.512 -7.654 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.484 -2.057 -7.328 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.838 -0.344 -7.578 1.00 0.00 H new ATOM 1006 N GLU A 67 9.204 -3.107 -7.735 1.00 0.00 N ATOM 1007 CA GLU A 67 8.143 -4.096 -7.651 1.00 0.00 C ATOM 1008 C GLU A 67 8.676 -5.395 -7.042 1.00 0.00 C ATOM 1009 O GLU A 67 7.972 -6.066 -6.289 1.00 0.00 O ATOM 1010 CB GLU A 67 7.520 -4.350 -9.025 1.00 0.00 C ATOM 1011 CG GLU A 67 8.291 -5.430 -9.786 1.00 0.00 C ATOM 1012 CD GLU A 67 8.060 -5.310 -11.293 1.00 0.00 C ATOM 1013 OE1 GLU A 67 7.013 -5.819 -11.749 1.00 0.00 O ATOM 1014 OE2 GLU A 67 8.935 -4.712 -11.956 1.00 0.00 O ATOM 0 H GLU A 67 9.699 -3.087 -8.627 1.00 0.00 H new ATOM 0 HA GLU A 67 7.360 -3.706 -7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.481 -4.656 -8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.516 -3.426 -9.603 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.356 -5.342 -9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.976 -6.416 -9.444 1.00 0.00 H new ATOM 1021 N ASP A 68 9.914 -5.710 -7.391 1.00 0.00 N ATOM 1022 CA ASP A 68 10.549 -6.917 -6.889 1.00 0.00 C ATOM 1023 C ASP A 68 10.821 -6.759 -5.391 1.00 0.00 C ATOM 1024 O ASP A 68 11.215 -7.714 -4.724 1.00 0.00 O ATOM 1025 CB ASP A 68 11.887 -7.168 -7.588 1.00 0.00 C ATOM 1026 CG ASP A 68 12.490 -8.554 -7.353 1.00 0.00 C ATOM 1027 OD1 ASP A 68 11.897 -9.301 -6.545 1.00 0.00 O ATOM 1028 OD2 ASP A 68 13.530 -8.836 -7.986 1.00 0.00 O ATOM 0 H ASP A 68 10.495 -5.151 -8.015 1.00 0.00 H new ATOM 0 HA ASP A 68 9.879 -7.755 -7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.752 -7.024 -8.660 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.601 -6.416 -7.253 1.00 0.00 H new ATOM 1033 N ALA A 69 10.599 -5.546 -4.907 1.00 0.00 N ATOM 1034 CA ALA A 69 10.815 -5.251 -3.501 1.00 0.00 C ATOM 1035 C ALA A 69 9.659 -5.827 -2.680 1.00 0.00 C ATOM 1036 O ALA A 69 8.687 -6.331 -3.239 1.00 0.00 O ATOM 1037 CB ALA A 69 10.966 -3.740 -3.313 1.00 0.00 C ATOM 0 H ALA A 69 10.272 -4.756 -5.463 1.00 0.00 H new ATOM 0 HA ALA A 69 11.735 -5.717 -3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.128 -3.519 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.818 -3.384 -3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.060 -3.239 -3.654 1.00 0.00 H new ATOM 1043 N LEU A 70 9.804 -5.733 -1.366 1.00 0.00 N ATOM 1044 CA LEU A 70 8.785 -6.239 -0.463 1.00 0.00 C ATOM 1045 C LEU A 70 8.517 -5.202 0.630 1.00 0.00 C ATOM 1046 O LEU A 70 9.393 -4.404 0.961 1.00 0.00 O ATOM 1047 CB LEU A 70 9.183 -7.613 0.079 1.00 0.00 C ATOM 1048 CG LEU A 70 9.761 -8.595 -0.942 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.651 -9.636 -0.260 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.650 -9.244 -1.770 1.00 0.00 C ATOM 0 H LEU A 70 10.612 -5.314 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 70 7.847 -6.391 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.917 -7.470 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.305 -8.070 0.536 1.00 0.00 H new ATOM 0 HG LEU A 70 10.392 -8.036 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.049 -10.321 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.475 -9.134 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.064 -10.195 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.089 -9.937 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.973 -9.786 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.096 -8.472 -2.304 1.00 0.00 H new ATOM 1062 N LEU A 71 7.303 -5.246 1.159 1.00 0.00 N ATOM 1063 CA LEU A 71 6.910 -4.320 2.207 1.00 0.00 C ATOM 1064 C LEU A 71 7.691 -4.639 3.483 1.00 0.00 C ATOM 1065 O LEU A 71 7.357 -5.579 4.202 1.00 0.00 O ATOM 1066 CB LEU A 71 5.391 -4.338 2.396 1.00 0.00 C ATOM 1067 CG LEU A 71 4.652 -3.056 2.007 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.137 -3.258 2.068 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.109 -1.877 2.869 1.00 0.00 C ATOM 0 H LEU A 71 6.579 -5.908 0.881 1.00 0.00 H new ATOM 0 HA LEU A 71 7.162 -3.298 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.982 -5.162 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.177 -4.554 3.443 1.00 0.00 H new ATOM 0 HG LEU A 71 4.904 -2.816 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.635 -2.332 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.848 -4.051 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.847 -3.535 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.568 -0.978 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.906 -2.093 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.179 -1.719 2.732 1.00 0.00 H new ATOM 1081 N GLY A 72 8.719 -3.837 3.725 1.00 0.00 N ATOM 1082 CA GLY A 72 9.551 -4.022 4.902 1.00 0.00 C ATOM 1083 C GLY A 72 10.967 -3.496 4.660 1.00 0.00 C ATOM 1084 O GLY A 72 11.506 -2.753 5.479 1.00 0.00 O ATOM 0 H GLY A 72 8.994 -3.058 3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.107 -3.503 5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.591 -5.080 5.161 1.00 0.00 H new ATOM 1088 N SER A 73 11.530 -3.902 3.531 1.00 0.00 N ATOM 1089 CA SER A 73 12.873 -3.481 3.171 1.00 0.00 C ATOM 1090 C SER A 73 12.969 -1.954 3.205 1.00 0.00 C ATOM 1091 O SER A 73 14.056 -1.401 3.369 1.00 0.00 O ATOM 1092 CB SER A 73 13.263 -4.007 1.788 1.00 0.00 C ATOM 1093 OG SER A 73 13.129 -3.008 0.780 1.00 0.00 O ATOM 0 H SER A 73 11.080 -4.518 2.854 1.00 0.00 H new ATOM 0 HA SER A 73 13.569 -3.899 3.898 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.293 -4.362 1.812 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.637 -4.863 1.536 1.00 0.00 H new ATOM 0 HG SER A 73 13.389 -3.382 -0.088 1.00 0.00 H new ATOM 1099 N TYR A 74 11.819 -1.316 3.047 1.00 0.00 N ATOM 1100 CA TYR A 74 11.760 0.135 3.057 1.00 0.00 C ATOM 1101 C TYR A 74 11.547 0.665 4.477 1.00 0.00 C ATOM 1102 O TYR A 74 11.199 -0.093 5.381 1.00 0.00 O ATOM 1103 CB TYR A 74 10.553 0.515 2.198 1.00 0.00 C ATOM 1104 CG TYR A 74 10.800 0.400 0.692 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.514 1.380 0.034 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.309 -0.683 -0.007 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.747 1.273 -1.383 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.542 -0.791 -1.424 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.249 0.192 -2.042 1.00 0.00 C ATOM 1110 OH TYR A 74 11.469 0.090 -3.381 1.00 0.00 O ATOM 0 H TYR A 74 10.920 -1.778 2.911 1.00 0.00 H new ATOM 0 HA TYR A 74 12.691 0.559 2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.712 -0.124 2.468 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.262 1.539 2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.898 2.228 0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.750 -1.450 0.508 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.304 2.033 -1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.164 -1.634 -1.983 1.00 0.00 H new ATOM 0 HH TYR A 74 12.317 0.527 -3.607 1.00 0.00 H new ATOM 1120 N PRO A 75 11.771 1.998 4.632 1.00 0.00 N ATOM 1121 CA PRO A 75 11.608 2.638 5.926 1.00 0.00 C ATOM 1122 C PRO A 75 10.127 2.812 6.269 1.00 0.00 C ATOM 1123 O PRO A 75 9.680 3.919 6.563 1.00 0.00 O ATOM 1124 CB PRO A 75 12.349 3.960 5.808 1.00 0.00 C ATOM 1125 CG PRO A 75 12.503 4.219 4.318 1.00 0.00 C ATOM 1126 CD PRO A 75 12.185 2.927 3.584 1.00 0.00 C ATOM 0 HA PRO A 75 12.013 2.042 6.744 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.792 4.764 6.289 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.321 3.908 6.298 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.831 5.015 3.998 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.517 4.547 4.091 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.393 3.073 2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.055 2.553 3.045 1.00 0.00 H new ATOM 1134 N VAL A 76 9.407 1.701 6.219 1.00 0.00 N ATOM 1135 CA VAL A 76 7.985 1.716 6.521 1.00 0.00 C ATOM 1136 C VAL A 76 7.715 0.820 7.731 1.00 0.00 C ATOM 1137 O VAL A 76 8.618 0.142 8.220 1.00 0.00 O ATOM 1138 CB VAL A 76 7.183 1.308 5.283 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.036 -0.213 5.203 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.816 1.993 5.265 1.00 0.00 C ATOM 0 H VAL A 76 9.781 0.784 5.974 1.00 0.00 H new ATOM 0 HA VAL A 76 7.661 2.723 6.784 1.00 0.00 H new ATOM 0 HB VAL A 76 7.734 1.638 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.462 -0.477 4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.023 -0.672 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.518 -0.576 6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.267 1.686 4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.254 1.708 6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.951 3.075 5.253 1.00 0.00 H new ATOM 1150 N ASP A 77 6.469 0.845 8.179 1.00 0.00 N ATOM 1151 CA ASP A 77 6.068 0.044 9.323 1.00 0.00 C ATOM 1152 C ASP A 77 4.590 0.295 9.624 1.00 0.00 C ATOM 1153 O ASP A 77 3.994 1.230 9.092 1.00 0.00 O ATOM 1154 CB ASP A 77 6.875 0.419 10.568 1.00 0.00 C ATOM 1155 CG ASP A 77 7.585 -0.749 11.255 1.00 0.00 C ATOM 1156 OD1 ASP A 77 8.746 -1.011 10.873 1.00 0.00 O ATOM 1157 OD2 ASP A 77 6.951 -1.354 12.146 1.00 0.00 O ATOM 0 H ASP A 77 5.723 1.408 7.770 1.00 0.00 H new ATOM 0 HA ASP A 77 6.246 -1.003 9.080 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.620 1.164 10.289 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.206 0.892 11.287 1.00 0.00 H new ATOM 1162 N ASP A 78 4.039 -0.557 10.476 1.00 0.00 N ATOM 1163 CA ASP A 78 2.641 -0.440 10.854 1.00 0.00 C ATOM 1164 C ASP A 78 2.406 0.925 11.505 1.00 0.00 C ATOM 1165 O ASP A 78 2.717 1.119 12.679 1.00 0.00 O ATOM 1166 CB ASP A 78 2.251 -1.519 11.866 1.00 0.00 C ATOM 1167 CG ASP A 78 3.337 -1.874 12.884 1.00 0.00 C ATOM 1168 OD1 ASP A 78 3.879 -0.924 13.490 1.00 0.00 O ATOM 1169 OD2 ASP A 78 3.601 -3.086 13.033 1.00 0.00 O ATOM 0 H ASP A 78 4.536 -1.332 10.916 1.00 0.00 H new ATOM 0 HA ASP A 78 2.038 -0.556 9.953 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.364 -1.187 12.405 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.974 -2.422 11.323 1.00 0.00 H new ATOM 1174 N GLY A 79 1.860 1.836 10.713 1.00 0.00 N ATOM 1175 CA GLY A 79 1.580 3.177 11.197 1.00 0.00 C ATOM 1176 C GLY A 79 1.974 4.229 10.158 1.00 0.00 C ATOM 1177 O GLY A 79 1.537 5.376 10.234 1.00 0.00 O ATOM 0 H GLY A 79 1.604 1.672 9.739 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.519 3.269 11.429 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.126 3.354 12.124 1.00 0.00 H new ATOM 1181 N CYS A 80 2.795 3.800 9.210 1.00 0.00 N ATOM 1182 CA CYS A 80 3.252 4.690 8.157 1.00 0.00 C ATOM 1183 C CYS A 80 2.046 5.082 7.302 1.00 0.00 C ATOM 1184 O CYS A 80 0.910 4.746 7.633 1.00 0.00 O ATOM 1185 CB CYS A 80 4.362 4.051 7.319 1.00 0.00 C ATOM 1186 SG CYS A 80 5.985 4.320 8.121 1.00 0.00 S ATOM 0 H CYS A 80 3.155 2.848 9.150 1.00 0.00 H new ATOM 0 HA CYS A 80 3.689 5.585 8.599 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.175 2.983 7.207 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.366 4.481 6.317 1.00 0.00 H new ATOM 0 HG CYS A 80 6.504 5.430 7.688 1.00 0.00 H new ATOM 1192 N ARG A 81 2.333 5.788 6.218 1.00 0.00 N ATOM 1193 CA ARG A 81 1.286 6.230 5.313 1.00 0.00 C ATOM 1194 C ARG A 81 1.687 5.955 3.863 1.00 0.00 C ATOM 1195 O ARG A 81 2.815 6.237 3.463 1.00 0.00 O ATOM 1196 CB ARG A 81 1.006 7.725 5.483 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.213 8.151 4.662 1.00 0.00 C ATOM 1198 CD ARG A 81 -0.637 9.579 5.010 1.00 0.00 C ATOM 1199 NE ARG A 81 -1.128 9.635 6.405 1.00 0.00 N ATOM 1200 CZ ARG A 81 -1.320 10.772 7.089 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -1.064 11.953 6.511 1.00 0.00 N ATOM 1202 NH2 ARG A 81 -1.768 10.727 8.351 1.00 0.00 N ATOM 0 H ARG A 81 3.276 6.065 5.946 1.00 0.00 H new ATOM 0 HA ARG A 81 0.381 5.673 5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.836 7.949 6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.878 8.300 5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.019 8.086 3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.040 7.466 4.850 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.206 10.258 4.885 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.419 9.912 4.327 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.333 8.754 6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.723 11.987 5.550 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.210 12.818 7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.963 9.828 8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.914 11.592 8.871 1.00 0.00 H new ATOM 1216 N ILE A 82 0.740 5.407 3.115 1.00 0.00 N ATOM 1217 CA ILE A 82 0.981 5.091 1.717 1.00 0.00 C ATOM 1218 C ILE A 82 0.062 5.943 0.840 1.00 0.00 C ATOM 1219 O ILE A 82 -1.126 5.652 0.712 1.00 0.00 O ATOM 1220 CB ILE A 82 0.839 3.586 1.476 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.733 2.791 2.430 1.00 0.00 C ATOM 1222 CG2 ILE A 82 1.109 3.238 0.011 1.00 0.00 C ATOM 1223 CD1 ILE A 82 3.212 3.042 2.130 1.00 0.00 C ATOM 0 H ILE A 82 -0.195 5.174 3.450 1.00 0.00 H new ATOM 0 HA ILE A 82 2.006 5.340 1.441 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.191 3.301 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.514 3.073 3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.515 1.727 2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.002 2.163 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.396 3.763 -0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.122 3.540 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.826 2.466 2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.433 2.736 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.432 4.103 2.247 1.00 0.00 H new ATOM 1235 N HIS A 83 0.647 6.980 0.258 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.104 7.877 -0.603 1.00 0.00 C ATOM 1237 C HIS A 83 -0.200 7.279 -2.008 1.00 0.00 C ATOM 1238 O HIS A 83 0.803 7.174 -2.712 1.00 0.00 O ATOM 1239 CB HIS A 83 0.510 9.278 -0.596 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.396 10.349 -1.156 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -1.684 10.558 -0.694 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.187 11.268 -2.142 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.217 11.559 -1.379 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.288 11.997 -2.277 1.00 0.00 N ATOM 0 H HIS A 83 1.633 7.219 0.366 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.119 7.987 -0.222 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.777 9.541 0.427 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.435 9.261 -1.173 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.721 11.383 -2.716 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.212 11.958 -1.249 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.418 12.759 -2.942 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.416 6.903 -2.375 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.656 6.318 -3.683 1.00 0.00 C ATOM 1254 C VAL A 84 -1.928 7.434 -4.694 1.00 0.00 C ATOM 1255 O VAL A 84 -3.060 7.895 -4.827 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.794 5.298 -3.600 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.978 4.572 -4.934 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.555 4.303 -2.462 1.00 0.00 C ATOM 0 H VAL A 84 -2.246 6.992 -1.789 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.775 5.775 -4.025 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.715 5.839 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.793 3.853 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.215 5.297 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.058 4.048 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.378 3.589 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.620 3.770 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.497 4.840 -1.515 1.00 0.00 H new ATOM 1268 N ILE A 85 -0.869 7.837 -5.381 1.00 0.00 N ATOM 1269 CA ILE A 85 -0.978 8.890 -6.376 1.00 0.00 C ATOM 1270 C ILE A 85 -1.791 8.378 -7.567 1.00 0.00 C ATOM 1271 O ILE A 85 -1.278 7.631 -8.398 1.00 0.00 O ATOM 1272 CB ILE A 85 0.408 9.413 -6.757 1.00 0.00 C ATOM 1273 CG1 ILE A 85 1.143 9.961 -5.532 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.314 10.449 -7.879 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.637 10.129 -5.818 1.00 0.00 C ATOM 0 H ILE A 85 0.069 7.453 -5.268 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.515 9.746 -5.967 1.00 0.00 H new ATOM 0 HB ILE A 85 0.995 8.577 -7.138 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.714 10.921 -5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.004 9.285 -4.688 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.313 10.805 -8.131 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.141 9.993 -8.758 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.297 11.289 -7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.136 10.520 -4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.068 9.163 -6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.773 10.824 -6.647 1.00 0.00 H new ATOM 1287 N ASP A 86 -3.046 8.801 -7.611 1.00 0.00 N ATOM 1288 CA ASP A 86 -3.935 8.395 -8.687 1.00 0.00 C ATOM 1289 C ASP A 86 -3.310 8.777 -10.030 1.00 0.00 C ATOM 1290 O ASP A 86 -3.371 9.935 -10.440 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.289 9.099 -8.577 1.00 0.00 C ATOM 1292 CG ASP A 86 -6.052 9.240 -9.895 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -6.428 8.185 -10.450 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -6.242 10.401 -10.319 1.00 0.00 O ATOM 0 H ASP A 86 -3.468 9.420 -6.919 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.082 7.317 -8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.911 8.549 -7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.132 10.093 -8.157 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.724 7.781 -10.679 1.00 0.00 N ATOM 1300 CA HIS A 87 -2.090 7.999 -11.968 1.00 0.00 C ATOM 1301 C HIS A 87 -3.056 7.609 -13.088 1.00 0.00 C ATOM 1302 O HIS A 87 -2.658 7.503 -14.247 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.756 7.253 -12.049 1.00 0.00 C ATOM 1304 CG HIS A 87 0.455 8.148 -11.939 1.00 0.00 C ATOM 1305 ND1 HIS A 87 0.518 9.401 -12.525 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.649 7.959 -11.306 1.00 0.00 C ATOM 1307 CE1 HIS A 87 1.700 9.932 -12.250 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.399 9.037 -11.496 1.00 0.00 N ATOM 0 H HIS A 87 -2.675 6.822 -10.336 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.857 9.057 -12.089 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.719 6.509 -11.254 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.711 6.712 -12.994 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.935 7.081 -10.746 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.049 10.904 -12.567 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.344 9.174 -11.137 1.00 0.00 H new